SCHEMBL18800886

SCHEMBL18800886

COc1ccccc1-c1cnc(Nc2ccccc2C)c(N)c1C(=N)N

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.42
▸ HSD17B10 Q99714 2/20 0.41
▸ CSF1R P07333 1/20 0.40
▸ NPC1 O15118 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18800884 0.89 BTK (0.42) BTKHSD17B10NPC1SMN1; SMN2LMNA
SCHEMBL18800559 0.84 BTK (0.58) BTKCSF1RNPC1SMN1; SMN2
SCHEMBL18800558 0.83 BTK (0.43) BTKHSD17B10NPC1SMN1; SMN2LMNA
SCHEMBL18800468 0.81 BTK (0.49) BTKHSD17B10LMNACYP1A2CYP3A4
SCHEMBL18800885 0.79 BTK (0.48) BTK
SCHEMBL18800772 0.77 ADORA1 (0.43) BTKHSD17B10LMNAALOX15
SCHEMBL18800792 0.76 BTK (0.47) BTKLMNA
SCHEMBL18800891 0.75 BTK (0.62) BTK
SCHEMBL18800760 0.70 BTK (0.61) BTKHSD17B10LMNACYP1A2CYP3A4
SCHEMBL18800563 0.67 BTK (0.58) BTKHSD17B10SMN1; SMN2LMNACYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2789615-B1 Azaindazoles as Btk kinase modulators and use thereof BRISTOL MYERS SQUIBB CO (US) 2017-05-03 — — EP disclosed
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